SCHEMBL876807

SCHEMBL876807

COc1ccc2c(=O)n(CC[C@H](C(=O)O)N(c3ccc(-c4ccc(OC)c(F)c4)cc3)S(C)(=O)=O)nnc2c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 11/20 0.42
NPSR1 Q6W5P4 1/20 0.40
MMP1 P03956 3/20 0.38
MMP2 P08253 3/20 0.38
MMP3 P08254 3/20 0.38
MMP9 P14780 3/20 0.38
MMP13 P45452 3/20 0.38
FFAR1 O14842 1/20 0.35
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL877097 0.92 EIF4EBP1 (0.39) GPR139MMP1MMP2MMP3MMP9
SCHEMBL877310 0.91 MMP1 (0.44) GPR139NPSR1MMP1MMP2MMP3
SCHEMBL877066 0.91 MMP1 (0.44) GPR139NPSR1MMP1MMP2MMP3
SCHEMBL874055 0.91 MMP1 (0.44) GPR139NPSR1MMP1MMP2MMP3
SCHEMBL876683 0.91 GPR139 (0.40) GPR139MMP1MMP2MMP3MMP9
SCHEMBL874810 0.89 GPR139 (0.52) GPR139NPSR1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL877960 0.89 GPR139 (0.42) GPR139NPSR1MMP1MMP2MMP3
SCHEMBL877710 0.88 GPR139 (0.41) GPR139NPSR1MMP1MMP2MMP3
SCHEMBL878146 0.86 GPR139 (0.41) GPR139MMP1MMP2MMP3MMP9
SCHEMBL873794 0.86 GPR139 (0.42) GPR139NPSR1MMP1MMP2MMP3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2619179-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-07-31 EP disclosed
WO-2012038944-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-03-29 WO disclosed